N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide

C13H23N3O5 — CID 134241467

IUPACN-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)C1(CO)CCNC(=O)C1)C(=O)N(C)C
InChIInChI=1S/C13H23N3O5/c1-8(18)10(11(20)16(2)3)15-12(21)13(7-17)4-5-14-9(19)6-13/h8,10,17-18H,4-7H2,1-3H3,(H,14,19)(H,15,21)/t8-,10+,13?/m1/s1
InChIKeyGOPNIUCOACNZRR-KMDCHFIWSA-N
MW301.34 g/mol
LogP-2.17
Rot. Bonds5

About N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide

N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide (PubChem CID 134241467) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide
PubChem CID134241467
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC NameN-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)C1(CO)CCNC(=O)C1)C(=O)N(C)C
InChIInChI=1S/C13H23N3O5/c1-8(18)10(11(20)16(2)3)15-12(21)13(7-17)4-5-14-9(19)6-13/h8,10,17-18H,4-7H2,1-3H3,(H,14,19)(H,15,21)/t8-,10+,13?/m1/s1
InChIKeyGOPNIUCOACNZRR-KMDCHFIWSA-N
XLogP-2.17
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide with MolForge

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Related Compounds

1-(hydroxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 164555229
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)methylamino]butanamide
CID 139374063
(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one
CID 125426069
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-[1-(dimethylamino)propan-2-yl]-4-ethylpiperidine-4-carboxamide
CID 82939518
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
(2S,3R)-2-(3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)-3-hydroxy-N-methylbutanamide
CID 134231190
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
azepan-2-one;propan-2-ol
CID 174895110
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide (CID 134241467) is N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide is C[C@@H](O)[C@H](NC(=O)C1(CO)CCNC(=O)C1)C(=O)N(C)C.
What is the InChIKey of N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide?
The InChIKey is GOPNIUCOACNZRR-KMDCHFIWSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-8(18)10(11(20)16(2)3)15-12(21)13(7-17)4-5-14-9(19)6-13/h8,10,17-18H,4-7H2,1-3H3,(H,14,19)(H,15,21)/t8-,10+,13?/m1/s1.
What are the key properties of N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide?
N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide has a molecular weight of 301.34 g/mol, XLogP of -2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-4-(hydroxymethyl)-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 134241467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).